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yvquanli / GLAM

Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".
https://www.nature.com/articles/s42256-022-00501-8
MIT License
39 stars 8 forks source link

How to get the file "protein_maps_dict.ckpt"? #2

Closed DeepAIDD closed 2 years ago

DeepAIDD commented 2 years ago

Hello, I encountered a problem when testing with my own data, how to get the file "protein_maps_dict.ckpt"?

yvquanli commented 2 years ago

All the contact maps are in the file GLAM/pro_contact_map.zip. Just try unzip it.

DeepAIDD commented 2 years ago

All the contact maps are in the file GLAM/pro_contact_map.zip. Just try unzip it.

However, the amino acid sequence contained in the "protein_maps_dict.ckpt" file does not include the amino acid sequence in my own data, so the following code cannot run and errors occur. if pro in pro_data_dict.keys(): data_list.append(data) self.train_val_test_GLAMs[dataset_type] += 1 Can this problem be solved?

yvquanli commented 2 years ago

Here it is. preprocess_contact_map.ipynb

DeepAIDD commented 2 years ago

Here it is. preprocess_contact_map.ipynb

OK，感谢！！！

yvquanli commented 2 years ago

There may some bugs in it, you may need to debug it line by line.

yvquanli commented 2 years ago

Here it is. preprocess_contact_map.ipynb

OK，感谢！！！

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